3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide

C14H21ClN2O2S — CID 107091207

IUPAC3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)C2CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-3-16-10-11-5-8-13(9-14(11)15)20(18,19)17(4-2)12-6-7-12/h5,8-9,12,16H,3-4,6-7,10H2,1-2H3
InChIKeyZLHSKASPSMATOX-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.62
Rot. Bonds7

About 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide

3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide (PubChem CID 107091207) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide
PubChem CID107091207
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)C2CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-3-16-10-11-5-8-13(9-14(11)15)20(18,19)17(4-2)12-6-7-12/h5,8-9,12,16H,3-4,6-7,10H2,1-2H3
InChIKeyZLHSKASPSMATOX-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991
3-chloro-4-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107091282
3-chloro-4-[(cyclopropylamino)methyl]-N,N-diethylbenzenesulfonamide
CID 107091147
N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 79113661
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957
3-chloro-N,N-dimethyl-4-(propylaminomethyl)benzenesulfonamide
CID 107091188
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide (CID 107091207) is 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)N(CC)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is ZLHSKASPSMATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-16-10-11-5-8-13(9-14(11)15)20(18,19)17(4-2)12-6-7-12/h5,8-9,12,16H,3-4,6-7,10H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide?
3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107091207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).